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Systemin

CAT: 0804-HY-P0279-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0279-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Systemin, an 18-amino acid polypeptide, has been isolated from tomato leaves that is a powerful inducer of over 15 defensive genes.
CAS Number
137181-56-7
UNSPSC
12352209
Target
Endogenous Metabolite
Type
Peptides
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/Systemin.html
Purity
99.60
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
C(=O)([C@H]1N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C)N)=O)C(C)C)=O)CCC(N)=O)=O)CO)=O)CCCCN)=O)CCC1)N2[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(O)=O)C(O)=O)=O)[C@@H](C)O)=O)CCC(N)=O)=O)CCSC)=O)CCCCN)=O)CCC4)CCC3)CC(O)=O)=O)CCCNC(=N)N)=O)CCCCN)=O)CO)=O)CCC2
Molecular Formula
C85H144N26O28S
Molecular Weight
2010.30
References & Citations
[1]Ryan CA, et al. Systemin: a polypeptide signal for plant defensive genes. Annu Rev Cell Dev Biol. 1998;14:1-17.|[2]Sun JQ, et al. Systemin/Jasmonate-mediated systemic defense signaling in tomato. Mol Plant. 2011 Jul;4 (4) :607-15.
Shipping Conditions
Blue Ice
Storage Conditions
-80°C, 2 years; -20°C, 1 year (Powder, sealed storage, away from moisture and light, under nitrogen)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Systemin

amino acid sequence given in first source; a mobile 18 amino acid polypeptide, induces proteinase inhibitor synthesis; from Lycopersicon esculentum (tomato)

CAS Number137181-56-7
PubChem CID25078152
IUPAC Name(3S)-3-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]oxycarbonylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-4-oxobutanoic acid
Molecular FormulaC85H144N26O28S
Molecular Weight2010.3
XLogP-15.6
Topological Polar Surface Area915
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count35
Rotatable Bond Count65
Heavy Atom Count140
Formal Charge0
Complexity4320
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C85H144N26O28S/c1-43(2)65(106-67(121)44(3)89)77(131)100-49(25-27-61(91)115)71(125)104-55(41-112)75(129)101-52(19-8-11-32-88)79(133)109-35-14-22-58(109)81(135)108-34-13-21-57(108)76(130)105-56(42-113)74(128)98-47(18-7-10-31-87)69(123)97-48(20-12-33-95-85(93)94)70(124)102-53(39-63(117)118)80(134)110-36-15-23-59(110)82(136)111-37-16-24-60(111)84(138)139-83(137)54(40-64(119)120)103-78(132)66(45(4)114)107-73(127)50(26-28-62(92)116)99-72(126)51(29-38-140-5)96-68(122)46(90)17-6-9-30-86/h43-60,65-66,112-114H,6-42,86-90H2,1-5H3,(H2,91,115)(H2,92,116)(H,96,122)(H,97,123)(H,98,128)(H,99,126)(H,100,131)(H,101,129)(H,102,124)(H,103,132)(H,104,125)(H,105,130)(H,106,121)(H,107,127)(H,117,118)(H,119,120)(H4,93,94,95)/t44-,45+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1
InChIKey
HOWHQWFXSLOJEF-MGZLOUMQSA-N
Chemical Structure
2D Structure
2D structure of Systemin
CAS: 137181-56-7
CID: 25078152
Formula: C85H144N26O28S
MW: 2010.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2010.3
XLogP3-15.6
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count35
Rotatable Bond Count65
Exact Mass2009.0364092
Monoisotopic Mass2009.0364092
Topological Polar Surface Area915 Ų
Heavy Atom Count140
Formal Charge0
Complexity4320
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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